UCSF

ZINC41192710

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 8.66 -30.99 2 2 1 29 273.425 4
Mid Mid (pH 6-8) 3.61 7.22 -4.39 1 2 0 25 272.417 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )